CID 3057018

73931-97-2

Structural Information

Molecular Formula

C₁₆H₂₂N₂O

SMILES

CC1=C(C(=C(C(=C1C)C)C(CN2C=CN=C2)O)C)C

InChI

InChI=1S/C16H22N2O/c1-10-11(2)13(4)16(14(5)12(10)3)15(19)8-18-7-6-17-9-18/h6-7,9,15,19H,8H2,1-5H3

InChIKey

FHWSSJUYUPONQH-UHFFFAOYSA-N

Compound name

2-imidazol-1-yl-1-(2,3,4,5,6-pentamethylphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 258.17322 Da
Monoisotopic Mass: 2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	259.180496	162.0
[M+Na]+	281.162438	171.6
[M-H]-	257.165944	165.8
[M+NH4]+	276.207043	178.4
[M+K]+	297.136378	167.3
[M+H-H2O]+	241.170480	154.5
[M+HCOO]-	303.171421	181.6
[M+CH3COO]-	317.187071	199.4
[M+Na-2H]-	279.147886	161.3
[M]+	258.17267142	164.6
[M]-	258.17376858	164.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe